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NCID-ZINC01745177

 MMsINC code: MMs02360540
Type: Neutral
Formula: C22H23NO
SMILES:   OCCN(C(c1ccccc1)c1ccccc1)Cc1ccccc1
InChI:   InChI=1/C22H23NO/c24-17-16-23(18-19-10-4-1-5-11-19)22(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22,24H,16-18H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.584 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.432 g/mol  logS: -4.58959  SlogP: 4.6324  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.272266  Sterimol/B1: 3.88364  Sterimol/B2: 4.95334  Sterimol/B3: 5.60714
  Sterimol/B4: 6.70304  Sterimol/L: 14.0159 
 
 Surface and Volume Properties
  Accessible surface: 567.772  Positive charged surface: 353.553  Negative charged surface: 214.22  Volume: 335.875
  Hydrophobic surface: 529.465  Hydrophilic surface: 38.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02360541
NCID-ZINC01745177